1E5N

E246C mutant of P fluorescens subsp. cellulosa xylanase A in complex with xylopentaose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	SIEMENS
Temperature [K]	293
Detector technology	AREA DETECTOR
Detector	MULTIWIRE SIEMENS
Spacegroup name	P 43 21 2
Unit cell lengths	96.700, 96.700, 152.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.700 - 3.200
R-factor	0.19
Rwork	0.190
R-free	0.24500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1clx
RMSD bond length	0.012
RMSD bond angle	23.320 *
Data reduction software	XENGEN
Data scaling software	XENGEN
Phasing software	X-PLOR (3.1)
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.700	3.400
High resolution limit [Å]	3.200	3.200
Rmerge	0.144 *	0.364 *
Number of reflections	11399
Completeness [%]	98.9	95.8
Redundancy	4.3	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5		drop consists of equal amounts of protein and reservoir solutions *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	reservoir	sodium cacodylate	0.1 (M)
3	1	reservoir	calcium acetate	200 (mM)
4	1	reservoir	beta-mercaptoethanol	1 (mM)
5	1	reservoir	PEG8000	14-18 (%)